Compound Identification
SMILES
COC1=CC=CC=C1NC1CCN(CC(O)CN2N=C(C3=C2CCN(C3)C(C)=O)C2=CC=C(Cl)C=C2)CC1
InChIKey
InChIKey=VUNHPSNPEWLYJU-UHFFFAOYSA-N
Formula
C29H36ClN5O3
Mass
538.09
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Pyrazoles
- Level 5 Phenylpyrazoles
-
Subclass
Pyrazoles
-
Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Pyrazoles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrazoles
Alternative Parents
Aminophenyl ethers Methoxyanilines Phenylalkylamines Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Secondary alkylarylamines Aminopiperidines Chlorobenzenes Aryl chlorides Acetamides Tertiary carboxylic acid amides Heteroaromatic compounds Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Trialkylamines Azacyclic compounds Organic oxides Organochlorides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylpyrazole - Methoxyaniline - Aminophenyl ether - Anisole - Phenol ether - Aniline or substituted anilines - Phenylalkylamine - Phenoxy compound - Methoxybenzene - 4-aminopiperidine - Chlorobenzene - Alkyl aryl ether - Halobenzene - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Piperidine - Benzenoid - Tertiary carboxylic acid amide - Heteroaromatic compound - Acetamide - Tertiary aliphatic amine - Secondary alcohol - Tertiary amine - Amino acid or derivatives - 1,2-aminoalcohol - Carboxamide group - Ether - Carboxylic acid derivative - Secondary amine - Azacycle - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
External Descriptors
Not available